2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrido[4,3-d]pyrimidine

C16H20N4 — CID 164521550

IUPAC2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrido[4,3-d]pyrimidine
SMILESc1cc2nc(CCC34CCCN3CCC4)ncc2cn1
InChIInChI=1S/C16H20N4/c1-5-16(6-2-10-20(16)9-1)7-3-15-18-12-13-11-17-8-4-14(13)19-15/h4,8,11-12H,1-3,5-7,9-10H2
InChIKeyQQIOWXQYOOXGJH-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.59
Rot. Bonds3

About 2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrido[4,3-d]pyrimidine

2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrido[4,3-d]pyrimidine (PubChem CID 164521550) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrido[4,3-d]pyrimidine
PubChem CID164521550
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrido[4,3-d]pyrimidine
SMILESc1cc2nc(CCC34CCCN3CCC4)ncc2cn1
InChIInChI=1S/C16H20N4/c1-5-16(6-2-10-20(16)9-1)7-3-15-18-12-13-11-17-8-4-14(13)19-15/h4,8,11-12H,1-3,5-7,9-10H2
InChIKeyQQIOWXQYOOXGJH-UHFFFAOYSA-N
XLogP2.59
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrido[4,3-d]pyrimidine (CID 164521550) is 2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrido[4,3-d]pyrimidine is c1cc2nc(CCC34CCCN3CCC4)ncc2cn1.
What is the InChIKey of 2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrido[4,3-d]pyrimidine?
The InChIKey is QQIOWXQYOOXGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-5-16(6-2-10-20(16)9-1)7-3-15-18-12-13-11-17-8-4-14(13)19-15/h4,8,11-12H,1-3,5-7,9-10H2.
What are the key properties of 2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrido[4,3-d]pyrimidine?
2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrido[4,3-d]pyrimidine has a molecular weight of 268.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 164521550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).